In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 36 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.71 | 6.7 | -56.93 | 4 | 15 | 1 | 186 | 500.496 | 10 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 4.19 | -26.35 | 3 | 15 | 0 | 185 | 499.488 | 10 | ↓ |